SCHEMBL4052251

SCHEMBL4052251

CC(C)CC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.52
CTSL P07711 17/20 0.52
CTSS P25774 16/20 0.52
CTSB P07858 2/20 0.43
CTSV O60911 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4044283 0.92 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040348 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050718 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043679 0.88 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041849 0.87 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042621 0.87 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4049641 0.86 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4043969 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045548 0.85 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4046866 0.85 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed